N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide

C13H16N2O4 — CID 43548175

IUPACN-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide
SMILESNc1cc2c(cc1NC(=O)C1CCCO1)OCCO2
InChIInChI=1S/C13H16N2O4/c14-8-6-11-12(19-5-4-18-11)7-9(8)15-13(16)10-2-1-3-17-10/h6-7,10H,1-5,14H2,(H,15,16)
InChIKeyYVDUGLMEMWWJFI-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.16
Rot. Bonds2

About N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide

N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide (PubChem CID 43548175) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide
PubChem CID43548175
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC NameN-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide
SMILESNc1cc2c(cc1NC(=O)C1CCCO1)OCCO2
InChIInChI=1S/C13H16N2O4/c14-8-6-11-12(19-5-4-18-11)7-9(8)15-13(16)10-2-1-3-17-10/h6-7,10H,1-5,14H2,(H,15,16)
InChIKeyYVDUGLMEMWWJFI-UHFFFAOYSA-N
XLogP1.16
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)cycloheptanecarboxamide
CID 62585586
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide
CID 757856
N-(6-amino-1,3-benzodioxol-5-yl)-1,4-dioxane-2-carboxamide;hydrochloride
CID 119261098
N-(8-amino-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyloxolane-3-carboxamide
CID 79754636
N-(2-amino-4-bromophenyl)oxane-2-carboxamide
CID 62213310
(2R)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)oxolane-2-carboxamide
CID 9451672
N-(4-amino-5-chloro-2-methylphenyl)oxolane-2-carboxamide
CID 113438975
N-(6-amino-1,3-benzodioxol-5-yl)oxane-3-carboxamide;hydrochloride
CID 119618602
1-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-3-propan-2-ylurea
CID 43551276
6-N-(oxolan-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine
CID 43115518
(2S)-N-[4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7926588
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxybenzamide
CID 43548158

Frequently Asked Questions

What is the IUPAC name of N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide?
The IUPAC name of N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide (CID 43548175) is N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide.
What is the SMILES notation for N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide?
The canonical SMILES for N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide is Nc1cc2c(cc1NC(=O)C1CCCO1)OCCO2.
What is the InChIKey of N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide?
The InChIKey is YVDUGLMEMWWJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c14-8-6-11-12(19-5-4-18-11)7-9(8)15-13(16)10-2-1-3-17-10/h6-7,10H,1-5,14H2,(H,15,16).
What are the key properties of N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide?
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide has a molecular weight of 264.28 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide is sourced from PubChem (CID 43548175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).